SCHEMBL8096090

SCHEMBL8096090

CCCCCc1cc(Cc2ccccc2C)ccc1Cc1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.48
CNR1 P21554 6/20 0.48
GPR55 Q9Y2T6 2/20 0.46
LIPG Q9Y5X9 1/20 0.42
TLR8 Q9NR97 4/20 0.40
GPR3 P46089 1/20 0.39
TYR P14679 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8100945 0.98 CNR2 (0.47) CNR2CNR1GPR55LIPGTLR8
SCHEMBL8094984 0.98 CNR2 (0.47) CNR2CNR1GPR55LIPGTLR8
SCHEMBL8101600 0.98 CNR2 (0.47) CNR2CNR1GPR55LIPGTLR8
SCHEMBL8100912 0.95 CNR1 (0.43) CNR2CNR1GPR55LIPGTLR8
SCHEMBL8099932 0.94 TLR8 (0.47) CNR2CNR1GPR55LIPGTLR8
SCHEMBL8100554 0.93 TLR8 (0.46) CNR2CNR1GPR55LIPGTLR8
SCHEMBL8094286 0.93 TLR8 (0.46) CNR2CNR1GPR55LIPGTLR8
SCHEMBL8099971 0.93 TLR8 (0.46) CNR2CNR1GPR55LIPGTLR8
SCHEMBL8102088 0.89 TLR8 (0.42) CNR2CNR1GPR55TLR8HTT
SCHEMBL8093886 0.89 TAAR1 (0.40) CNR2CNR1GPR55TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed